N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C19H14FN3O5S — CID 55385210

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1
InChIInChI=1S/C19H14FN3O5S/c1-29(26,27)11-6-7-13(20)14(8-11)22-16(24)9-23-10-21-17-12-4-2-3-5-15(12)28-18(17)19(23)25/h2-8,10H,9H2,1H3,(H,22,24)
InChIKeyICGPCPUIDVXVOR-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.32
Rot. Bonds4

About N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 55385210) has the molecular formula C19H14FN3O5S and a molecular weight of 415.40 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID55385210
Molecular FormulaC19H14FN3O5S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1
InChIInChI=1S/C19H14FN3O5S/c1-29(26,27)11-6-7-13(20)14(8-11)22-16(24)9-23-10-21-17-12-4-2-3-5-15(12)28-18(17)19(23)25/h2-8,10H,9H2,1H3,(H,22,24)
InChIKeyICGPCPUIDVXVOR-UHFFFAOYSA-N
XLogP2.32
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660548
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
N-(1,3-ditert-butylpyrazol-5-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 60581357
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 52690252
N-(benzimidazol-1-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 34335849
N-(2-amino-2-ethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119642367

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 55385210) is N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is ICGPCPUIDVXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O5S/c1-29(26,27)11-6-7-13(20)14(8-11)22-16(24)9-23-10-21-17-12-4-2-3-5-15(12)28-18(17)19(23)25/h2-8,10H,9H2,1H3,(H,22,24).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 415.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55385210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).